0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 4.16512 6.91778 9.15528 6.28506 5.14913 11.903 6.31889 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 10.4181 5.96346 6.86684 9.42607 5.8961 10.2486 9.52695 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 15.5398 7.92503 6.11127 12.2829 5.59268 10.5993 7.05148 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 15.5398 7.92503 5.30154 12.2829 5.59268 8.88413 7.05148 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 6.48746 4.96726 8.99491 6.23138 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 13.832 6.95572 9.50382 13.7767 4.52119 11.8917 9.18898 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.8079 5.182 7.4729 15.33 7.38677 12.7565 13.7767 4.52119 11.8917 7.67331 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 9.8079 10.571 6.82344 13.832 6.95572 7.56363 13.7767 4.52119 9.79361 9.18898 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 9.8079 10.571 6.82344 15.33 7.38677 5.91004 13.7767 4.52119 9.79361 7.67331 numMergedOcc 0
9 mol 92 unq 4 iso 0 dist 8.3558 15.1474 7.4729 10.2731 6.95572 9.50382 6.39759 4.52119 11.8917 9.18898 numMergedOcc 0
10 mol 92 unq 5 iso 0 dist 8.3558 15.1474 7.4729 4.66752 7.38677 12.7565 6.39759 4.52119 11.8917 7.67331 numMergedOcc 0
11 mol 92 unq 6 iso 0 dist 8.3558 8.66262 6.82344 10.2731 6.95572 7.56363 6.39759 4.52119 9.79361 9.18898 numMergedOcc 0
12 mol 92 unq 7 iso 0 dist 8.3558 8.66262 6.82344 4.66752 7.38677 5.91004 6.39759 4.52119 9.79361 7.67331 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 5.04455 9.49454 13.3662 9.89353 5.69671 12.5791 9.49995 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 6.86713 7.4052 8.83255 5.04455 9.49454 12.0666 9.89353 5.69671 13.9545 9.49995 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 9.89353 5.69671 9.65047 9.49995 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 8.84017 6.84011 7.436 14.4834 8.14567 12.7833 8.96382 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 4.77149 6.66772 7.12976 13.3113 7.36833 13.1045 8.6561 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.94179 6.70853 9.52634 4.77149 6.66772 4.34568 13.3113 7.36833 10.3751 8.6561 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 8.66715 14.0905 7.11802 5.05981 9.22232 16.0138 6.26722 12.7925 18.2779 6.16862 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 8.66715 14.0905 7.11802 5.05981 9.22232 16.0138 9.59739 15.4258 20.1948 9.70325 numMergedOcc 0
21 mol 133 unq 4 iso 0 dist 8.66715 14.0905 7.11802 17.5205 9.22661 5.92062 12.5406 6.26797 5.86531 6.42904 numMergedOcc 0
22 mol 133 unq 5 iso 0 dist 8.66715 14.0905 7.11802 15.4908 7.56378 6.61891 11.195 5.36939 10.8427 7.31633 numMergedOcc 0
23 mol 133 unq 6 iso 0 dist 8.95433 11.0811 7.11802 13.7968 9.22232 16.0138 15.9597 12.7925 18.2779 6.16862 numMergedOcc 0
24 mol 133 unq 7 iso 0 dist 8.95433 11.0811 7.11802 13.7968 9.22232 16.0138 17.124 15.4258 20.1948 9.70325 numMergedOcc 0
25 mol 133 unq 8 iso 0 dist 8.95433 11.0811 7.11802 12.0166 9.22661 5.92062 13.6484 6.26797 5.86531 6.42904 numMergedOcc 0
26 mol 133 unq 9 iso 0 dist 8.95433 11.0811 7.11802 5.14992 7.56378 6.61891 5.63173 5.36939 10.8427 7.31633 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 13.5125 6.59025 8.04639 13.5174 4.11061 11.5719 6.95568 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 7.70631 12.7195 8.56633 14.5203 7.50013 8.46623 10.3021 4.57437 12.5442 8.98598 numMergedOcc 0
29 mol 197 unq 1 iso 0 dist 7.70631 12.7195 8.56633 11.199 5.81233 10.7305 10.3021 4.57437 12.5442 7.06689 numMergedOcc 0
30 mol 197 unq 2 iso 0 dist 7.70631 12.7195 8.56633 12.0358 6.92924 5.41996 9.53569 5.29309 11.6279 7.40027 numMergedOcc 0
31 mol 197 unq 3 iso 0 dist 7.70631 12.7195 8.56633 12.0358 6.92924 5.41996 10.3021 4.57437 12.5442 9.69601 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 7.35197 4.8668 9.13652 10.3051 4.78067 13.2374 5.86419 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 8.57514 5.56395 9.61492 7.35197 4.8668 9.13652 12.7057 4.2475 13.2057 7.23557 numMergedOcc 0
34 mol 205 unq 2 iso 0 dist 8.57514 5.56395 9.61492 7.35197 4.8668 9.13652 14.4031 6.8901 13.3164 8.86587 numMergedOcc 0
35 mol 205 unq 3 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 10.3051 4.78067 9.34594 5.86419 numMergedOcc 0
36 mol 205 unq 4 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 12.7057 4.2475 6.752 7.23557 numMergedOcc 0
37 mol 205 unq 5 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 14.4031 6.8901 5.4913 8.86587 numMergedOcc 0
38 mol 205 unq 6 iso 0 dist 6.11505 9.35174 9.61492 5.68053 4.8668 9.13652 5.91079 4.78067 13.2374 5.86419 numMergedOcc 0
39 mol 205 unq 7 iso 0 dist 6.11505 9.35174 9.61492 5.68053 4.8668 9.13652 9.86224 4.2475 13.2057 7.23557 numMergedOcc 0
40 mol 205 unq 8 iso 0 dist 6.11505 9.35174 9.61492 5.68053 4.8668 9.13652 12.7533 6.8901 13.3164 8.86587 numMergedOcc 0
41 mol 205 unq 9 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 5.91079 4.78067 9.34594 5.86419 numMergedOcc 0
42 mol 205 unq 10 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 9.86224 4.2475 6.752 7.23557 numMergedOcc 0
43 mol 205 unq 11 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 12.7533 6.8901 5.4913 8.86587 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 5.70548 9.05071 8.80479 12.0485 9.60401 9.29752 7.83422 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 7.37999 4.72487 9.361 10.9458 7.16853 11.1431 10.875 3.93713 13.1873 9.3201 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 7.37999 11.0659 6.24356 10.9458 7.16853 5.00209 10.875 3.93713 8.19504 9.3201 numMergedOcc 0
47 mol 264 unq 2 iso 0 dist 7.36703 5.28781 9.361 6.24807 7.16853 11.1431 11.0689 3.93713 13.1873 9.3201 numMergedOcc 0
48 mol 264 unq 3 iso 0 dist 7.36703 5.91731 6.24356 6.24807 7.16853 5.00209 11.0689 3.93713 8.19504 9.3201 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 8.85159 9.85289 6.20558 10.1112 9.85454 12.6706 9.11072 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 9.13226 10.7073 7.56915 8.85159 9.85289 6.20558 11.0807 5.9882 9.71801 9.02071 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 9.13226 11.3302 8.49997 8.85159 9.85289 11.4459 10.1112 9.85454 16.6696 9.11072 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 9.13226 11.3302 8.49997 8.85159 9.85289 11.4459 11.0807 5.9882 13.4994 9.02071 numMergedOcc 0
